2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]-4,5-dimethyl-3-thiophenecarboxylate IUPAC Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]-4,5-dimethyl-3-thenoate Formula: C23H19N4O2S- MolecularWeight: 415.48756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)[O-])C)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C(=O)[O-])C)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H20N4O2S/c1-12-9-16(10-17(11-24)21-25-18-7-5-6-8-19(18)26-21)14(3)27(12)22-20(23(28)29)13(2)15(4)30-22/h5-10H,1-4H3,(H,25,26)(H,28,29)/p-1/b17-10+